4-(6,6-dimethyl-3-methylsulfanyl-4-oxidanylidene-5,7-dihydro-2-benzothiophen-1-yl)pyrimidine-2-thiolate

Systemtic Name: 4-(6,6-dimethyl-3-methylsulfanyl-4-oxidanylidene-5,7-dihydro-2-benzothiophen-1-yl)pyrimidine-2-thiolate Openeye Name: 4-(6,6-dimethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophen-1-yl)pyrimidine-2-thiolate CAS Name: 4-[6,6-dimethyl-3-(methylthio)-4-oxo-5,7-dihydro-2-benzothiophen-1-yl]-2-pyrimidinethiolate IUPAC Name: 4-(6,6-dimethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophen-1-yl)pyrimidine-2-thiolate Traditional Name: 4-[4-keto-6,6-dimethyl-3-(methylthio)-5,7-dihydroisobenzothiophen-1-yl]pyrimidine-2-thiolate Formula: C15H15N2OS3- MolecularWeight: 335.4874

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)SC)C3=NC(=NC=C3)[S-])C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)SC)C3=NC(=NC=C3)[S-])C

InChI

InChI=1S/C15H16N2OS3/c1-15(2)6-8-11(10(18)7-15)13(20-3)21-12(8)9-4-5-16-14(19)17-9/h4-5H,6-7H2,1-3H3,(H,16,17,19)/p-1